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151453-58-6 | Benzonitrile, 3,5-dimethyl-4-(methylamino)-
CAS No: 151453-58-6 Catalog No: AG001NCJ MDL No:
Product Description
Catalog Number:
AG001NCJ
Chemical Name:
Benzonitrile, 3,5-dimethyl-4-(methylamino)-
CAS Number:
151453-58-6
Molecular Formula:
C10H12N2
Molecular Weight:
160.2157
IUPAC Name:
3,5-dimethyl-4-(methylamino)benzonitrile
InChI:
InChI=1S/C10H12N2/c1-7-4-9(6-11)5-8(2)10(7)12-3/h4-5,12H,1-3H3
InChI Key:
ZCTOBVIKBPSRST-UHFFFAOYSA-N
SMILES:
CNc1c(C)cc(cc1C)C#N
NSC Number:
129817
Properties
Complexity:
179
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
160.1g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
160.22g/mol
Monoisotopic Mass:
160.1g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
35.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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